SCHEMBL4455844

SCHEMBL4455844

Nc1c(S(=O)(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O.[Na+]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.56
P2RY12 known ✓ Q9H244 6/20 0.55
P2RY4 known ✓ P51582 6/20 0.55
P2RY2 known ✓ P41231 4/20 0.55
P2RY1 known ✓ P47900 2/20 0.55
P2RY6 known ✓ Q15077 2/20 0.55
FTO Q9C0B1 1/20 0.61
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2926956 0.81 PKLR (0.54) FTOMAOAMAOBALDH1A1MAPK1
SCHEMBL626587 0.81 ALDH1A1 (0.62) MAOAMAOBALDH1A1MAPK1L3MBTL1
SCHEMBL8193493 0.80 ALDH1A1 (0.60) MAOAMAOBALDH1A1MAPK1L3MBTL1
Sulfuric Acid SCHEMBL28152379 0.80 ALDH1A1 (0.60) MAOAMAOBALDH1A1MAPK1L3MBTL1
SCHEMBL27460699 0.80 FTO (0.54) FTOMAOAMAOBALDH1A1MAPK1
SCHEMBL1412691 0.79 ALDH1A1 (0.59) FTOALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL29622863 0.79 ALDH1A1 (0.59) FTOALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL31317955 0.79 ALDH1A1 (0.59) FTOALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL14988941 0.78 ADORA2A (0.66) FTOMAOAMAOBALDH1A1MAPK1
SCHEMBL11049644 0.78 PKLR (0.51) FTOMAOAMAOBALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119290855-A Water hardness test paper and preparation method thereof 上海三爱思试剂有限公司 2025-01-10 CN claimed
CN-107488359-A Polyether amine chain segment-containing blue acid dye and preparation method thereof 南京工业大学 2017-12-19 CN claimed
CN-107488358-A Acid dye for low-temperature dyeing of wool and preparation method thereof 南京工业大学 2017-12-19 CN claimed
US-6165341-A Catalytic film, methods of making the catalytic films, and electrosynthesis of compounds using the catalytic film SACHEM, INC. (US) 2000-12-26 US claimed
EP-1021595-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 2000-07-26 EP claimed
US-6024855-A Electrosynthesis of hydroxylammonium salts and hydroxylamine using a mediator SACHEM, INC. (US) 2000-02-15 US claimed
WO-1999009234-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 1999-02-25 WO claimed
CN-119290855-A Water hardness test paper and preparation method thereof 上海三爱思试剂有限公司 2025-01-10 CN disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
EP-2599799-B1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
US-9034464-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2015-05-19 US disclosed
US-20150126682-A1 HYDROPHILIC MODIFIED ACRYLIC RESIN FILM MITSUI CHEMICALS, INC. (JP) 2015-05-07 US disclosed
US-20050049313-A1 Electron mediator, electron mediator immobilized electrode, and biofuel cell using the electrode DAIICHI PURE CHEMICALS CO., LTD. 2005-03-03 US disclosed
US-6165341-A Catalytic film, methods of making the catalytic films, and electrosynthesis of compounds using the catalytic film SACHEM, INC. (US) 2000-12-26 US disclosed
EP-1021595-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 2000-07-26 EP disclosed
US-6024855-A Electrosynthesis of hydroxylammonium salts and hydroxylamine using a mediator SACHEM, INC. (US) 2000-02-15 US disclosed
WO-1999009234-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 1999-02-25 WO disclosed
US-4452742-A Process for the preparation of 4,4'-diamino-1,1'-dianthrimides BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049313-A1 Electron mediator, electron mediator immobilized electrode, and biofuel cell using the electrode SQOR, ME3, VAT1 THRB 4829/4885P2RY12 3550/4885P2RY4 3885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.